chempirical

Tannase

C52H52F12N2O5CAS 9025-71-21012.98 g/mol

Open in Covalent MOL file
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AlcoholAlkeneAlkyl halideCarbamateKetoneSecondary amine

Properties

Molecular formula
C52H52F12N2O5
Molar mass
1012.98 g/mol
Exact mass
1012.3685 Da
logP
13.30Crippen estimate
Polar surface area
95.9 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
14
Double bonds
E, EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
9025-71-2
SMILES
CCC(=O)/C=C/C1=CC2=C(C=C1)C(CC2)N(CCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC(C)(C)C.C1CC2=C(C1NCCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C=CC(=C2)/C=C/C(=O)CO
InChIKey
TVHUJHPQINEZAF-LDWVDBOMSA-N
InChI
InChI=1S/C29H31F6NO3.C23H21F6NO2/c1-5-23(37)9-6-18-7-10-24-20(14-18)8-11-25(24)36(26(38)39-27(2,3)4)13-12-19-15-21(28(30,31)32)17-22(16-19)29(33,34)35;24-22(25,26)17-10-15(11-18(12-17)23(27,28)29)7-8-30-21-6-3-16-9-14(2-5-20(16)21)1-4-19(32)13-31/h6-7,9-10,14-17,25H,5,8,11-13H2,1-4H3;1-2,4-5,9-12,21,30-31H,3,6-8,13H2/b9-6+;4-1+

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • E.C. 3.1.1.20
  • Tannase S
  • Tannin acetylhydrolase
  • Tannin acylhydrolase
  • Teazyme C
  • Tannase KTFH
  • Tannase KT 05
  • Sumizyme TAN

Work with Tannase

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

PubChem CAS Common Chemistry NIST WebBook